SrNbFe(P2O7)2
Alexandria ALEXAlex-ID: agm011036652 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4E14_10_spg1
SrFeP2O7 Fe(PO3)2 Nb2(PO4)3 Sr(PO3)2 FeP2
2024-04-23 05:37:03.777828
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011036652).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm011036652
data_agm011036652
_cell_length_a 5.24419
_cell_length_b 7.24823
_cell_length_c 8.73727
_cell_angle_alpha 90.59289
_cell_angle_beta 93.09575
_cell_angle_gamma 109.01008
_cell_volume 313.40474
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.75540 0.18335 0.89375 1.00000
Nb1 Nb 0.49678 0.27268 0.49191 1.00000
Fe1 Fe 0.43987 0.68689 0.04159 1.00000
P1 P 0.86201 0.49794 0.19693 1.00000
P2 P 0.17619 0.91317 0.76296 1.00000
P3 P 0.87410 0.09054 0.27676 1.00000
P4 P 0.13032 0.50822 0.68434 1.00000
O1 O 0.16036 0.12955 0.34721 1.00000
O2 O 0.36033 0.08991 0.67703 1.00000
O3 O 0.67304 0.50462 0.05766 1.00000
O4 O 0.72291 0.48415 0.34926 1.00000
O5 O 0.82958 0.38349 0.65237 1.00000
O6 O 0.68320 0.09588 0.40448 1.00000
O7 O 0.88996 0.27831 0.17020 1.00000
O8 O 0.15526 0.72838 0.65068 1.00000
O9 O 0.33916 0.89722 0.91106 1.00000
O10 O 0.14571 0.63899 0.19814 1.00000
O11 O 0.20652 0.47967 0.85083 1.00000
O12 O 0.30734 0.45591 0.56794 1.00000
O13 O 0.76620 0.92186 0.16349 1.00000
O14 O 0.90095 0.92608 0.78463 1.00000
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